⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL22997636 | 0.79 | MAPT (0.35) | — | |
| SCHEMBL22997452 | 0.66 | APOBEC3G (0.31) | — | |
| SCHEMBL22997003 | 0.61 | SLC2A1 (0.38) | — | |
| SCHEMBL22997165 | 0.59 | PSD (0.37) | — | |
| SCHEMBL22997002 | 0.57 | GSK3B (0.36) | — | |
| SCHEMBL25247362 | 0.53 | HTR3A (0.48) | — | |
| SCHEMBL17086550 | 0.51 | BCL2A1 (0.49) | — | |
| SCHEMBL21254366 | 0.51 | BCL2A1 (0.49) | — | |
| SCHEMBL27809659 | 0.50 | HTR3A (0.46) | — | |
| SCHEMBL315185 | 0.50 | LMNA (0.50) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3777846-A1 | VAP-1 INHIBITORS FOR TREATING PAIN | BenevolentAI Cambridge Limited (GB) | 2021-02-17 | — | — | EP | disclosed |